COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.094  -0.536   0.567  1.00  0.00           N  
HETATM    2  C   UNL     1       4.718  -1.312  -0.467  1.00  0.00           C  
HETATM    3  N   UNL     1       5.308  -2.484  -0.697  1.00  0.00           N  
HETATM    4  C   UNL     1       6.276  -2.922   0.097  1.00  0.00           C  
HETATM    5  C   UNL     1       6.689  -2.136   1.192  1.00  0.00           C  
HETATM    6  C   UNL     1       6.084  -0.944   1.409  1.00  0.00           C  
HETATM    7  O   UNL     1       3.831  -0.930  -1.212  1.00  0.00           O  
HETATM    8  N   UNL     1       6.874  -4.137  -0.148  1.00  0.00           N  
HETATM    9  C   UNL     1       4.431   0.751   0.790  1.00  0.00           C  
HETATM   10  C   UNL     1       4.629   1.690  -0.427  1.00  0.00           C  
HETATM   11  O   UNL     1       5.856   2.414  -0.318  1.00  0.00           O  
HETATM   12  C   UNL     1       3.411   2.643  -0.303  1.00  0.00           C  
HETATM   13  C   UNL     1       2.410   1.860   0.568  1.00  0.00           C  
HETATM   14  O   UNL     1       2.998   0.580   0.855  1.00  0.00           O  
HETATM   15  O   UNL     1       3.794   3.863   0.336  1.00  0.00           O  
HETATM   16  C   UNL     1       1.096   1.670  -0.192  1.00  0.00           C  
HETATM   17  O   UNL     1       0.139   1.041   0.661  1.00  0.00           O  
HETATM   18  P   UNL     1      -1.212   0.873  -0.199  1.00  0.00           P  
HETATM   19  O   UNL     1      -0.913   0.139  -1.449  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.803   2.326  -0.558  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.297   0.050   0.660  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.370  -0.538  -0.386  1.00  0.00           P  
HETATM   23  O   UNL     1      -4.730  -0.908   0.392  1.00  0.00           O  
HETATM   24  O   UNL     1      -3.668   0.523  -1.468  1.00  0.00           O1-
HETATM   25  O   UNL     1      -2.797  -1.808  -1.053  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.677  -1.310  -0.600  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.999  -1.677   0.076  1.00  0.00           C  
HETATM   28  N   UNL     1      -7.609  -0.469   0.649  1.00  0.00           N1+
HETATM   29  C   UNL     1      -7.755   0.549  -0.399  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.749   0.051   1.721  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.930  -0.801   1.198  1.00  0.00           C  
HETATM   32  H   UNL     1       7.476  -2.479   1.847  1.00  0.00           H  
HETATM   33  H   UNL     1       6.382  -0.324   2.242  1.00  0.00           H  
HETATM   34  H   UNL     1       7.582  -4.454   0.434  1.00  0.00           H  
HETATM   35  H   UNL     1       6.588  -4.675  -0.902  1.00  0.00           H  
HETATM   36  H   UNL     1       4.803   1.220   1.701  1.00  0.00           H  
HETATM   37  H   UNL     1       4.592   1.129  -1.361  1.00  0.00           H  
HETATM   38  H   UNL     1       5.919   2.977  -1.102  1.00  0.00           H  
HETATM   39  H   UNL     1       2.984   2.846  -1.285  1.00  0.00           H  
HETATM   40  H   UNL     1       2.226   2.400   1.497  1.00  0.00           H  
HETATM   41  H   UNL     1       4.464   4.275  -0.226  1.00  0.00           H  
HETATM   42  H   UNL     1       1.270   1.044  -1.067  1.00  0.00           H  
HETATM   43  H   UNL     1       0.717   2.642  -0.510  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.984   2.770   0.281  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.292  -2.175  -1.140  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.842  -0.489  -1.298  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.813  -2.401   0.869  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.676  -2.111  -0.660  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.775   0.795  -0.807  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.393   0.163  -1.195  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.207   1.445   0.026  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.279   0.835   2.262  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.495  -0.756   2.407  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.837   0.461   1.288  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.568  -1.187   0.403  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.821  -1.557   1.976  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.382   0.095   1.623  1.00  0.00           H  
CONECT    1    2    6    9                                            
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5   33                                       
CONECT    7    2    2                                                 
CONECT    8    4   34   35                                            
CONECT    9    1   10   14   36                                       
CONECT   10    9   11   12   37                                       
CONECT   11   10   38                                                 
CONECT   12   10   13   15   39                                       
CONECT   13   12   14   16   40                                       
CONECT   14    9   13                                                 
CONECT   15   12   41                                                 
CONECT   16   13   17   42   43                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   44                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   24   25                                       
CONECT   22   25                                                      
CONECT   23   22   26                                                 
CONECT   24   22                                                      
CONECT   25   22   22                                                 
CONECT   26   23   27   45   46                                       
CONECT   27   26   28   47   48                                       
CONECT   28   27   29   30   31                                       
CONECT   29   28   49   50   51                                       
CONECT   30   28   52   53   54                                       
CONECT   31   28   55   56   57                                       
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   20                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
